SCHEMBL5592296

SCHEMBL5592296

O=C1CCCC(=O)N1CCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.53
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PARL Q9H300 1/20 0.48
HTT P42858 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
KCNJ1 P48048 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KCNH2 Q12809 1/20 0.44
HSD11B1 P28845 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5592220 0.99 HTR1A (0.52) HTR1AALDH1A1LMNASMN1; SMN2PARL
SCHEMBL853378 0.77 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2HTTKCNJ1
SCHEMBL1519692 0.76 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2PARLHTT
SCHEMBL7535254 0.74 HTT (0.56) ALDH1A1LMNASMN1; SMN2PARLHTT
SCHEMBL21681941 0.73 ALDH1A1 (0.74) ALDH1A1LMNASMN1; SMN2PARLHTT
SCHEMBL7485956 0.73 ALDH1A1 (0.79) ALDH1A1LMNASMN1; SMN2HTTKMT2A
SCHEMBL5726074 0.72 ATM (0.63) ALDH1A1LMNASMN1; SMN2HTTKMT2A
SCHEMBL12626953 0.72 KMT2A (0.63) ALDH1A1LMNASMN1; SMN2PARLHTT
SCHEMBL3691866 0.72 ALDH1A1 (0.82) ALDH1A1LMNASMN1; SMN2HTTKMT2A
SCHEMBL1269605 0.72 ALDH1A1 (0.82) ALDH1A1LMNASMN1; SMN2HTTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO claimed
WO-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed